! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    1.0446217179   0.7505992612   1.7059328987
F    4.3757139251  -2.2563752475  -0.2930808963
F    3.3463822120  -3.2343774860  -1.9089568553
F    3.6312892885  -4.2550393892  -0.0353613090
O    1.0001197879  -0.6052288599   2.2235824759
O    1.2306854895   1.8414083025   2.6412703758
O   -0.0535438282   3.0296444165   0.1741923840
O   -6.3837647849   0.9031193883  -1.0256408608
N   -0.4267541789   0.9236293066   0.9382212588
N   -2.0803836235   2.1063523868  -0.1873965985
N   -2.8405484258   0.0000784082   0.4449201908
N   -4.2355260007   1.5492107835  -0.6435473344
N   -5.0696775401  -0.5649080920  -0.0056603705
C    2.3349538119  -0.0376006843  -0.6294034138
C    1.4973017115  -1.2841147507  -0.7655165546
C    2.2373589647   0.9027737063   0.4052248465
C    2.0308897796  -2.5354911183  -0.0613824464
C    3.2799850857   0.2239336813  -1.6189304797
C    3.0536000538   2.0278205572   0.4575534354
C    3.3401838027  -3.0608580970  -0.5768954387
C    4.1019787257   1.3378260993  -1.5772399915
C    3.9964772170   2.2407677390  -0.5315537286
C   -0.7937373972   2.0804427934   0.3113287441
C   -3.0778079448   1.1729597495  -0.1184654997
C   -3.8754846995  -0.8445180974   0.4761133287
C   -5.1885089746   0.6438934201  -0.5529928810
C   -3.6365972371  -2.1799738074   1.0772172542
C   -6.6293767929   2.1693783510  -1.6400483921
H    0.4842769666  -1.1276433786  -0.3995779753
H    1.3777012009  -1.4932821005  -1.8290454739
H    2.1372230632  -2.3655914333   1.0088934909
H    1.2897362318  -3.3271035325  -0.1851437541
H    3.3675271250  -0.4623360201  -2.4514269486
H    2.9564419546   2.7455598891   1.2584199631
H    4.8228988722   1.5001822330  -2.3670454132
H    4.6314544400   3.1144267576  -0.4882702541
H   -1.1302114009   0.1733343811   1.0195955264
H   -2.3292519089   2.9753368131  -0.6426031973
H   -4.5662524942  -2.7229961190   1.2225674244
H   -2.9923915501  -2.7644569641   0.4168771083
H   -3.1177768418  -2.0855073741   2.0305090923
H   -6.4668057364   2.9895947047  -0.9423474020
H   -7.6738080457   2.1509231396  -1.9369852227
H   -6.0061035102   2.3104043444  -2.5219392074
*